SCHEMBL29855985

SCHEMBL29855985

CN(C(=O)O)c1ccc(B2OC(C)(C)C(C)(C)O2)cn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 2/20 0.45
LIPG Q9Y5X9 4/20 0.41
LPL P06858 3/20 0.41
P4HB P07237 1/20 0.39
PDGFRB P09619 2/20 0.39
KDR P35968 2/20 0.39
F11 P03951 3/20 0.39
F2 P00734 2/20 0.39
PRSS1 P07477 2/20 0.39
PRSS2 P07478 2/20 0.39
PRSS3 P35030 2/20 0.39
CA1 P00915 4/20 0.36
CA2 P00918 4/20 0.36
CA9 Q16790 4/20 0.36
USP30 Q70CQ3 1/20 0.36
CA12 O43570 1/20 0.35
CA3 P07451 1/20 0.35
CA4 P22748 1/20 0.35
CA6 P23280 1/20 0.35
CA5A P35218 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4553845 1.00 DGAT1 (0.45) DGAT1LIPGLPLP4HBPDGFRB
SCHEMBL17421064 0.85 DGAT1 (0.51) DGAT1LIPGLPLP4HBPDGFRB
SCHEMBL3792124 0.84 DGAT1 (0.40) DGAT1LIPGLPLP4HBPDGFRB
SCHEMBL2182096 0.82 DGAT1 (0.48) DGAT1LIPGLPLP4HBPDGFRB
SCHEMBL4165231 0.82 SNCA (0.32) DGAT1USP30
SCHEMBL29827999 0.82 DGAT1 (0.48) DGAT1LIPGLPLP4HBPDGFRB
SCHEMBL4303492 0.82 LIPG (0.36) DGAT1LIPGLPLP4HBPDGFRB
SCHEMBL1181140 0.82 DGAT1 (0.48) DGAT1LIPGLPLP4HBPDGFRB
SCHEMBL1284621 0.82 LPL (0.43) DGAT1LIPGLPLF11CA1
SCHEMBL30529973 0.82 LPL (0.43) DGAT1LIPGLPLF11CA1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022166916-A1 SUBSTITUTED HETEROARYL DERIVATIVE, AND COMPOSITION AND USE THEREOF 深圳市塔吉瑞生物医药有限公司 2022-08-11 WO disclosed